| SpectraBase Compound ID | jeUSvQFmQc |
|---|---|
| InChI | InChI=1S/C12H18O3/c1-5-15-11(14)10(2)7-6-8-12(3,4)9-13/h6-9H,5H2,1-4H3/b8-6+,10-7+ |
| InChIKey | FRJBIMCKYLRDPN-NBANWCDVSA-N |
| Mol Weight | 210.27 g/mol |
| Molecular Formula | C12H18O3 |
| Exact Mass | 210.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1PijifFJASZ |
|---|---|
| Name | (3E,5E)-6-Ethoxycarbonyl-2,2-dimethylhepta-3,5-dienal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.125594437 u |
| Formula | C12H18O3 |
| InChI | InChI=1S/C12H18O3/c1-5-15-11(14)10(2)7-6-8-12(3,4)9-13/h6-9H,5H2,1-4H3/b8-6+,10-7+ |
| InChIKey | FRJBIMCKYLRDPN-NBANWCDVSA-N |
| Molecular Weight | 210.273 g/mol |
| SMILES | C(\C(=C\C=C\C(C=O)(C)C)C)(=O)OCC |